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89555-90-8 | Thiophene, tetrahydro-2,3-dimethyl-5-(2,2,2-trichloroethyl)-, 1,1-dioxide
CAS No: 89555-90-8 Catalog No: AG003ZN8 MDL No:
Product Description
Catalog Number:
AG003ZN8
Chemical Name:
Thiophene, tetrahydro-2,3-dimethyl-5-(2,2,2-trichloroethyl)-, 1,1-dioxide
CAS Number:
89555-90-8
Molecular Formula:
C8H13Cl3O2S
Molecular Weight:
279.6116
IUPAC Name:
2,3-dimethyl-5-(2,2,2-trichloroethyl)thiolane 1,1-dioxide
InChI:
InChI=1S/C8H13Cl3O2S/c1-5-3-7(4-8(9,10)11)14(12,13)6(5)2/h5-7H,3-4H2,1-2H3
InChI Key:
TVXGXGBJRHTGIM-UHFFFAOYSA-N
SMILES:
CC1CC(S(=O)(=O)C1C)CC(Cl)(Cl)Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.6g/mol
Monoisotopic Mass:
277.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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